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International Heat Transfer Conference 13

ISSN: 2377-424X (online)
ISSN: 2377-4371 (flashdrive)

MOLECULAR DYNAMICS SIMULATION OF NANOSCALE ARGON DROPLET MOTION ON SOLID SURFACE INDUCED BY TEMPERATURE GRADIENT

DOI: 10.1615/IHTC13.p8.160
12 pages

Akira Murata
Department of Mechanical Systems Engineering, Tokyo University of Agriculture and Technology, 2-24-16 Nakacho, Koganei, Tokyo 184-8588, Japan

Sadanari Mochizuki
Tokyo University of Agriculture and Technology, 2-24-16, Naka-cho, Koganei-shi, Tokyo 184, JAPAN

Abstract

Motion of a nanoscale droplet on a solid wall with temperature gradient was numerically simulated by using the molecular dynamics method. The platinum (Pt) solid wall (fcc with surface of (1 1 1)) was composed, and the argon (Ar) droplet was formed on it. The number of Ar molecule was 1000, 2000, 4000, and 8000. The number of Pt atom was 8000 or 16000 for the semi-cylindrical droplet, and 32000 or 72000 for the hemispherical droplet. The mean wall temperature was 90K, and the maximum temperature gradient was 2×109 K/m. On the isothermal wall, the droplet stayed around the initial location with some fluctuation. When the temperature gradient was applied to the wall, the droplet clearly moved toward the lower temperature side. In the hemispherical droplet case, the velocity was larger for the stronger fluid-solid interaction case, that is, the higher wettability and the lower contact angle case. On the other hand, the semi-cylindrical droplet case did not show a definite tendency in the effect of the fluid-solid interaction intensity on the velocity. In order to examine the driving mechanism of the droplet motion, the temperature dependency of the gas-liquid interfacial tension and the spreading coefficient was calculated from the virial theorem. The driving-force factor consisting of these values could partly explain the numerically simulated droplet-motion behavior.

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Measurement of fluid temperature with an arrangement of three thermocouples